0 mol 25 unq 0 iso 0 dist 7.52933 6.55597 6.53015 9.71956 11.8984 9.19736 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 7.52933 9.71956 11.8984 6.55597 6.53015 9.19736 numMergedOcc 0
2 mol 25 unq 0 iso 2 dist 6.55597 7.52933 6.53015 9.71956 9.19736 11.8984 numMergedOcc 0
3 mol 25 unq 0 iso 3 dist 6.55597 9.71956 9.19736 7.52933 6.53015 11.8984 numMergedOcc 0
4 mol 25 unq 0 iso 4 dist 9.71956 7.52933 11.8984 6.55597 9.19736 6.53015 numMergedOcc 0
5 mol 25 unq 0 iso 5 dist 9.71956 6.55597 9.19736 7.52933 11.8984 6.53015 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.52933 6.55597 6.53015 7.07751 8.64476 5.78812 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 7.52933 7.07751 8.64476 6.55597 6.53015 5.78812 numMergedOcc 0
8 mol 25 unq 1 iso 2 dist 6.55597 7.52933 6.53015 7.07751 5.78812 8.64476 numMergedOcc 0
9 mol 25 unq 1 iso 3 dist 6.55597 7.07751 5.78812 7.52933 6.53015 8.64476 numMergedOcc 0
10 mol 25 unq 1 iso 4 dist 7.07751 7.52933 8.64476 6.55597 5.78812 6.53015 numMergedOcc 0
11 mol 25 unq 1 iso 5 dist 7.07751 6.55597 5.78812 7.52933 8.64476 6.53015 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 7.52933 6.55597 6.53015 8.23761 4.64241 7.36721 numMergedOcc 0
13 mol 25 unq 2 iso 1 dist 7.52933 8.23761 4.64241 6.55597 6.53015 7.36721 numMergedOcc 0
14 mol 25 unq 2 iso 2 dist 6.55597 7.52933 6.53015 8.23761 7.36721 4.64241 numMergedOcc 0
15 mol 25 unq 2 iso 3 dist 6.55597 8.23761 7.36721 7.52933 6.53015 4.64241 numMergedOcc 0
16 mol 25 unq 2 iso 4 dist 8.23761 7.52933 4.64241 6.55597 7.36721 6.53015 numMergedOcc 0
17 mol 25 unq 2 iso 5 dist 8.23761 6.55597 7.36721 7.52933 4.64241 6.53015 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 7.52933 6.55597 6.53015 9.49421 16.0628 12.1732 numMergedOcc 0
19 mol 25 unq 3 iso 1 dist 7.52933 9.49421 16.0628 6.55597 6.53015 12.1732 numMergedOcc 0
20 mol 25 unq 3 iso 2 dist 6.55597 7.52933 6.53015 9.49421 12.1732 16.0628 numMergedOcc 0
21 mol 25 unq 3 iso 3 dist 6.55597 9.49421 12.1732 7.52933 6.53015 16.0628 numMergedOcc 0
22 mol 25 unq 3 iso 4 dist 9.49421 7.52933 16.0628 6.55597 12.1732 6.53015 numMergedOcc 0
23 mol 25 unq 3 iso 5 dist 9.49421 6.55597 12.1732 7.52933 16.0628 6.53015 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 7.52933 9.71956 11.8984 7.07751 8.64476 3.56099 numMergedOcc 0
25 mol 25 unq 1 iso 1 dist 7.52933 7.07751 8.64476 9.71956 11.8984 3.56099 numMergedOcc 0
26 mol 25 unq 1 iso 2 dist 9.71956 7.52933 11.8984 7.07751 3.56099 8.64476 numMergedOcc 0
27 mol 25 unq 1 iso 3 dist 9.71956 7.07751 3.56099 7.52933 11.8984 8.64476 numMergedOcc 0
28 mol 25 unq 1 iso 4 dist 7.07751 7.52933 8.64476 9.71956 3.56099 11.8984 numMergedOcc 0
29 mol 25 unq 1 iso 5 dist 7.07751 9.71956 3.56099 7.52933 8.64476 11.8984 numMergedOcc 0
30 mol 25 unq 2 iso 0 dist 7.52933 9.71956 11.8984 8.23761 4.64241 8.42944 numMergedOcc 0
31 mol 25 unq 2 iso 1 dist 7.52933 8.23761 4.64241 9.71956 11.8984 8.42944 numMergedOcc 0
32 mol 25 unq 2 iso 2 dist 9.71956 7.52933 11.8984 8.23761 8.42944 4.64241 numMergedOcc 0
33 mol 25 unq 2 iso 3 dist 9.71956 8.23761 8.42944 7.52933 11.8984 4.64241 numMergedOcc 0
34 mol 25 unq 2 iso 4 dist 8.23761 7.52933 4.64241 9.71956 8.42944 11.8984 numMergedOcc 0
35 mol 25 unq 2 iso 5 dist 8.23761 9.71956 8.42944 7.52933 4.64241 11.8984 numMergedOcc 0
36 mol 25 unq 3 iso 0 dist 7.52933 9.71956 11.8984 9.49421 16.0628 8.99147 numMergedOcc 0
37 mol 25 unq 3 iso 1 dist 7.52933 9.49421 16.0628 9.71956 11.8984 8.99147 numMergedOcc 0
38 mol 25 unq 3 iso 2 dist 9.71956 7.52933 11.8984 9.49421 8.99147 16.0628 numMergedOcc 0
39 mol 25 unq 3 iso 3 dist 9.71956 9.49421 8.99147 7.52933 11.8984 16.0628 numMergedOcc 0
40 mol 25 unq 3 iso 4 dist 9.49421 7.52933 16.0628 9.71956 8.99147 11.8984 numMergedOcc 0
41 mol 25 unq 3 iso 5 dist 9.49421 9.71956 8.99147 7.52933 16.0628 11.8984 numMergedOcc 0
42 mol 25 unq 2 iso 0 dist 7.52933 7.07751 8.64476 8.23761 4.64241 5.99526 numMergedOcc 0
43 mol 25 unq 2 iso 1 dist 7.52933 8.23761 4.64241 7.07751 8.64476 5.99526 numMergedOcc 0
44 mol 25 unq 2 iso 2 dist 7.07751 7.52933 8.64476 8.23761 5.99526 4.64241 numMergedOcc 0
45 mol 25 unq 2 iso 3 dist 7.07751 8.23761 5.99526 7.52933 8.64476 4.64241 numMergedOcc 0
46 mol 25 unq 2 iso 4 dist 8.23761 7.52933 4.64241 7.07751 5.99526 8.64476 numMergedOcc 0
47 mol 25 unq 2 iso 5 dist 8.23761 7.07751 5.99526 7.52933 4.64241 8.64476 numMergedOcc 0
48 mol 25 unq 3 iso 0 dist 7.52933 7.07751 8.64476 9.49421 16.0628 9.54872 numMergedOcc 0
49 mol 25 unq 3 iso 1 dist 7.52933 9.49421 16.0628 7.07751 8.64476 9.54872 numMergedOcc 0
50 mol 25 unq 3 iso 2 dist 7.07751 7.52933 8.64476 9.49421 9.54872 16.0628 numMergedOcc 0
51 mol 25 unq 3 iso 3 dist 7.07751 9.49421 9.54872 7.52933 8.64476 16.0628 numMergedOcc 0
52 mol 25 unq 3 iso 4 dist 9.49421 7.52933 16.0628 7.07751 9.54872 8.64476 numMergedOcc 0
53 mol 25 unq 3 iso 5 dist 9.49421 7.07751 9.54872 7.52933 16.0628 8.64476 numMergedOcc 0
54 mol 25 unq 3 iso 0 dist 7.52933 8.23761 4.64241 9.49421 16.0628 14.6175 numMergedOcc 0
55 mol 25 unq 3 iso 1 dist 7.52933 9.49421 16.0628 8.23761 4.64241 14.6175 numMergedOcc 0
56 mol 25 unq 3 iso 2 dist 8.23761 7.52933 4.64241 9.49421 14.6175 16.0628 numMergedOcc 0
57 mol 25 unq 3 iso 3 dist 8.23761 9.49421 14.6175 7.52933 4.64241 16.0628 numMergedOcc 0
58 mol 25 unq 3 iso 4 dist 9.49421 7.52933 16.0628 8.23761 14.6175 4.64241 numMergedOcc 0
59 mol 25 unq 3 iso 5 dist 9.49421 8.23761 14.6175 7.52933 16.0628 4.64241 numMergedOcc 0
60 mol 25 unq 1 iso 0 dist 6.55597 9.71956 9.19736 7.07751 5.78812 3.56099 numMergedOcc 0
61 mol 25 unq 1 iso 1 dist 6.55597 7.07751 5.78812 9.71956 9.19736 3.56099 numMergedOcc 0
62 mol 25 unq 1 iso 2 dist 9.71956 6.55597 9.19736 7.07751 3.56099 5.78812 numMergedOcc 0
63 mol 25 unq 1 iso 3 dist 9.71956 7.07751 3.56099 6.55597 9.19736 5.78812 numMergedOcc 0
64 mol 25 unq 1 iso 4 dist 7.07751 6.55597 5.78812 9.71956 3.56099 9.19736 numMergedOcc 0
65 mol 25 unq 1 iso 5 dist 7.07751 9.71956 3.56099 6.55597 5.78812 9.19736 numMergedOcc 0
66 mol 25 unq 2 iso 0 dist 6.55597 9.71956 9.19736 8.23761 7.36721 8.42944 numMergedOcc 0
67 mol 25 unq 2 iso 1 dist 6.55597 8.23761 7.36721 9.71956 9.19736 8.42944 numMergedOcc 0
68 mol 25 unq 2 iso 2 dist 9.71956 6.55597 9.19736 8.23761 8.42944 7.36721 numMergedOcc 0
69 mol 25 unq 2 iso 3 dist 9.71956 8.23761 8.42944 6.55597 9.19736 7.36721 numMergedOcc 0
70 mol 25 unq 2 iso 4 dist 8.23761 6.55597 7.36721 9.71956 8.42944 9.19736 numMergedOcc 0
71 mol 25 unq 2 iso 5 dist 8.23761 9.71956 8.42944 6.55597 7.36721 9.19736 numMergedOcc 0
72 mol 25 unq 3 iso 0 dist 6.55597 9.71956 9.19736 9.49421 12.1732 8.99147 numMergedOcc 0
73 mol 25 unq 3 iso 1 dist 6.55597 9.49421 12.1732 9.71956 9.19736 8.99147 numMergedOcc 0
74 mol 25 unq 3 iso 2 dist 9.71956 6.55597 9.19736 9.49421 8.99147 12.1732 numMergedOcc 0
75 mol 25 unq 3 iso 3 dist 9.71956 9.49421 8.99147 6.55597 9.19736 12.1732 numMergedOcc 0
76 mol 25 unq 3 iso 4 dist 9.49421 6.55597 12.1732 9.71956 8.99147 9.19736 numMergedOcc 0
77 mol 25 unq 3 iso 5 dist 9.49421 9.71956 8.99147 6.55597 12.1732 9.19736 numMergedOcc 0
78 mol 25 unq 2 iso 0 dist 6.55597 7.07751 5.78812 8.23761 7.36721 5.99526 numMergedOcc 0
79 mol 25 unq 2 iso 1 dist 6.55597 8.23761 7.36721 7.07751 5.78812 5.99526 numMergedOcc 0
80 mol 25 unq 2 iso 2 dist 7.07751 6.55597 5.78812 8.23761 5.99526 7.36721 numMergedOcc 0
81 mol 25 unq 2 iso 3 dist 7.07751 8.23761 5.99526 6.55597 5.78812 7.36721 numMergedOcc 0
82 mol 25 unq 2 iso 4 dist 8.23761 6.55597 7.36721 7.07751 5.99526 5.78812 numMergedOcc 0
83 mol 25 unq 2 iso 5 dist 8.23761 7.07751 5.99526 6.55597 7.36721 5.78812 numMergedOcc 0
84 mol 25 unq 3 iso 0 dist 6.55597 7.07751 5.78812 9.49421 12.1732 9.54872 numMergedOcc 0
85 mol 25 unq 3 iso 1 dist 6.55597 9.49421 12.1732 7.07751 5.78812 9.54872 numMergedOcc 0
86 mol 25 unq 3 iso 2 dist 7.07751 6.55597 5.78812 9.49421 9.54872 12.1732 numMergedOcc 0
87 mol 25 unq 3 iso 3 dist 7.07751 9.49421 9.54872 6.55597 5.78812 12.1732 numMergedOcc 0
88 mol 25 unq 3 iso 4 dist 9.49421 6.55597 12.1732 7.07751 9.54872 5.78812 numMergedOcc 0
89 mol 25 unq 3 iso 5 dist 9.49421 7.07751 9.54872 6.55597 12.1732 5.78812 numMergedOcc 0
90 mol 25 unq 3 iso 0 dist 6.55597 8.23761 7.36721 9.49421 12.1732 14.6175 numMergedOcc 0
91 mol 25 unq 3 iso 1 dist 6.55597 9.49421 12.1732 8.23761 7.36721 14.6175 numMergedOcc 0
92 mol 25 unq 3 iso 2 dist 8.23761 6.55597 7.36721 9.49421 14.6175 12.1732 numMergedOcc 0
93 mol 25 unq 3 iso 3 dist 8.23761 9.49421 14.6175 6.55597 7.36721 12.1732 numMergedOcc 0
94 mol 25 unq 3 iso 4 dist 9.49421 6.55597 12.1732 8.23761 14.6175 7.36721 numMergedOcc 0
95 mol 25 unq 3 iso 5 dist 9.49421 8.23761 14.6175 6.55597 12.1732 7.36721 numMergedOcc 0
96 mol 25 unq 2 iso 0 dist 9.71956 7.07751 3.56099 8.23761 8.42944 5.99526 numMergedOcc 0
97 mol 25 unq 2 iso 1 dist 9.71956 8.23761 8.42944 7.07751 3.56099 5.99526 numMergedOcc 0
98 mol 25 unq 2 iso 2 dist 7.07751 9.71956 3.56099 8.23761 5.99526 8.42944 numMergedOcc 0
99 mol 25 unq 2 iso 3 dist 7.07751 8.23761 5.99526 9.71956 3.56099 8.42944 numMergedOcc 0
100 mol 25 unq 2 iso 4 dist 8.23761 9.71956 8.42944 7.07751 5.99526 3.56099 numMergedOcc 0
101 mol 25 unq 2 iso 5 dist 8.23761 7.07751 5.99526 9.71956 8.42944 3.56099 numMergedOcc 0
102 mol 25 unq 3 iso 0 dist 9.71956 7.07751 3.56099 9.49421 8.99147 9.54872 numMergedOcc 0
103 mol 25 unq 3 iso 1 dist 9.71956 9.49421 8.99147 7.07751 3.56099 9.54872 numMergedOcc 0
104 mol 25 unq 3 iso 2 dist 7.07751 9.71956 3.56099 9.49421 9.54872 8.99147 numMergedOcc 0
105 mol 25 unq 3 iso 3 dist 7.07751 9.49421 9.54872 9.71956 3.56099 8.99147 numMergedOcc 0
106 mol 25 unq 3 iso 4 dist 9.49421 9.71956 8.99147 7.07751 9.54872 3.56099 numMergedOcc 0
107 mol 25 unq 3 iso 5 dist 9.49421 7.07751 9.54872 9.71956 8.99147 3.56099 numMergedOcc 0
108 mol 25 unq 3 iso 0 dist 9.71956 8.23761 8.42944 9.49421 8.99147 14.6175 numMergedOcc 0
109 mol 25 unq 3 iso 1 dist 9.71956 9.49421 8.99147 8.23761 8.42944 14.6175 numMergedOcc 0
110 mol 25 unq 3 iso 2 dist 8.23761 9.71956 8.42944 9.49421 14.6175 8.99147 numMergedOcc 0
111 mol 25 unq 3 iso 3 dist 8.23761 9.49421 14.6175 9.71956 8.42944 8.99147 numMergedOcc 0
112 mol 25 unq 3 iso 4 dist 9.49421 9.71956 8.99147 8.23761 14.6175 8.42944 numMergedOcc 0
113 mol 25 unq 3 iso 5 dist 9.49421 8.23761 14.6175 9.71956 8.99147 8.42944 numMergedOcc 0
114 mol 25 unq 3 iso 0 dist 7.07751 8.23761 5.99526 9.49421 9.54872 14.6175 numMergedOcc 0
115 mol 25 unq 3 iso 1 dist 7.07751 9.49421 9.54872 8.23761 5.99526 14.6175 numMergedOcc 0
116 mol 25 unq 3 iso 2 dist 8.23761 7.07751 5.99526 9.49421 14.6175 9.54872 numMergedOcc 0
117 mol 25 unq 3 iso 3 dist 8.23761 9.49421 14.6175 7.07751 5.99526 9.54872 numMergedOcc 0
118 mol 25 unq 3 iso 4 dist 9.49421 7.07751 9.54872 8.23761 14.6175 5.99526 numMergedOcc 0
119 mol 25 unq 3 iso 5 dist 9.49421 8.23761 14.6175 7.07751 9.54872 5.99526 numMergedOcc 0
120 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 7.66093 5.75711 5.26077 numMergedOcc 0
121 mol 72 unq 0 iso 1 dist 6.21799 7.66093 5.75711 5.03251 3.43675 5.26077 numMergedOcc 0
122 mol 72 unq 0 iso 2 dist 5.03251 6.21799 3.43675 7.66093 5.26077 5.75711 numMergedOcc 0
123 mol 72 unq 0 iso 3 dist 5.03251 7.66093 5.26077 6.21799 3.43675 5.75711 numMergedOcc 0
124 mol 72 unq 0 iso 4 dist 7.66093 6.21799 5.75711 5.03251 5.26077 3.43675 numMergedOcc 0
125 mol 72 unq 0 iso 5 dist 7.66093 5.03251 5.26077 6.21799 5.75711 3.43675 numMergedOcc 0
126 mol 73 unq 0 iso 0 dist 8.72682 6.45841 11.9298 5.61588 9.76138 3.32668 numMergedOcc 0
127 mol 73 unq 0 iso 1 dist 8.72682 5.61588 9.76138 6.45841 11.9298 3.32668 numMergedOcc 0
128 mol 73 unq 0 iso 2 dist 6.45841 8.72682 11.9298 5.61588 3.32668 9.76138 numMergedOcc 0
129 mol 73 unq 0 iso 3 dist 6.45841 5.61588 3.32668 8.72682 11.9298 9.76138 numMergedOcc 0
130 mol 73 unq 0 iso 4 dist 5.61588 8.72682 9.76138 6.45841 3.32668 11.9298 numMergedOcc 0
131 mol 73 unq 0 iso 5 dist 5.61588 6.45841 3.32668 8.72682 9.76138 11.9298 numMergedOcc 0
132 mol 73 unq 1 iso 0 dist 8.72682 6.45841 11.9298 7.83244 5.81659 8.07648 numMergedOcc 0
133 mol 73 unq 1 iso 1 dist 8.72682 7.83244 5.81659 6.45841 11.9298 8.07648 numMergedOcc 0
134 mol 73 unq 1 iso 2 dist 6.45841 8.72682 11.9298 7.83244 8.07648 5.81659 numMergedOcc 0
135 mol 73 unq 1 iso 3 dist 6.45841 7.83244 8.07648 8.72682 11.9298 5.81659 numMergedOcc 0
136 mol 73 unq 1 iso 4 dist 7.83244 8.72682 5.81659 6.45841 8.07648 11.9298 numMergedOcc 0
137 mol 73 unq 1 iso 5 dist 7.83244 6.45841 8.07648 8.72682 5.81659 11.9298 numMergedOcc 0
138 mol 73 unq 1 iso 0 dist 8.72682 5.61588 9.76138 7.83244 5.81659 5.30471 numMergedOcc 0
139 mol 73 unq 1 iso 1 dist 8.72682 7.83244 5.81659 5.61588 9.76138 5.30471 numMergedOcc 0
140 mol 73 unq 1 iso 2 dist 5.61588 8.72682 9.76138 7.83244 5.30471 5.81659 numMergedOcc 0
141 mol 73 unq 1 iso 3 dist 5.61588 7.83244 5.30471 8.72682 9.76138 5.81659 numMergedOcc 0
142 mol 73 unq 1 iso 4 dist 7.83244 8.72682 5.81659 5.61588 5.30471 9.76138 numMergedOcc 0
143 mol 73 unq 1 iso 5 dist 7.83244 5.61588 5.30471 8.72682 5.81659 9.76138 numMergedOcc 0
144 mol 73 unq 1 iso 0 dist 6.45841 5.61588 3.32668 7.83244 8.07648 5.30471 numMergedOcc 0
145 mol 73 unq 1 iso 1 dist 6.45841 7.83244 8.07648 5.61588 3.32668 5.30471 numMergedOcc 0
146 mol 73 unq 1 iso 2 dist 5.61588 6.45841 3.32668 7.83244 5.30471 8.07648 numMergedOcc 0
147 mol 73 unq 1 iso 3 dist 5.61588 7.83244 5.30471 6.45841 3.32668 8.07648 numMergedOcc 0
148 mol 73 unq 1 iso 4 dist 7.83244 6.45841 8.07648 5.61588 5.30471 3.32668 numMergedOcc 0
149 mol 73 unq 1 iso 5 dist 7.83244 5.61588 5.30471 6.45841 8.07648 3.32668 numMergedOcc 0
150 mol 95 unq 0 iso 0 dist 8.27883 5.75428 6.27231 8.57395 11.734 6.95874 numMergedOcc 0
151 mol 95 unq 0 iso 1 dist 8.27883 8.57395 11.734 5.75428 6.27231 6.95874 numMergedOcc 0
152 mol 95 unq 0 iso 2 dist 5.75428 8.27883 6.27231 8.57395 6.95874 11.734 numMergedOcc 0
153 mol 95 unq 0 iso 3 dist 5.75428 8.57395 6.95874 8.27883 6.27231 11.734 numMergedOcc 0
154 mol 95 unq 0 iso 4 dist 8.57395 8.27883 11.734 5.75428 6.95874 6.27231 numMergedOcc 0
155 mol 95 unq 0 iso 5 dist 8.57395 5.75428 6.95874 8.27883 11.734 6.27231 numMergedOcc 0
156 mol 95 unq 1 iso 0 dist 8.27883 5.75428 6.27231 9.85409 17.4304 12.3063 numMergedOcc 0
157 mol 95 unq 1 iso 1 dist 8.27883 9.85409 17.4304 5.75428 6.27231 12.3063 numMergedOcc 0
158 mol 95 unq 1 iso 2 dist 5.75428 8.27883 6.27231 9.85409 12.3063 17.4304 numMergedOcc 0
159 mol 95 unq 1 iso 3 dist 5.75428 9.85409 12.3063 8.27883 6.27231 17.4304 numMergedOcc 0
160 mol 95 unq 1 iso 4 dist 9.85409 8.27883 17.4304 5.75428 12.3063 6.27231 numMergedOcc 0
161 mol 95 unq 1 iso 5 dist 9.85409 5.75428 12.3063 8.27883 17.4304 6.27231 numMergedOcc 0
162 mol 95 unq 1 iso 0 dist 8.27883 8.57395 11.734 9.85409 17.4304 9.43547 numMergedOcc 0
163 mol 95 unq 1 iso 1 dist 8.27883 9.85409 17.4304 8.57395 11.734 9.43547 numMergedOcc 0
164 mol 95 unq 1 iso 2 dist 8.57395 8.27883 11.734 9.85409 9.43547 17.4304 numMergedOcc 0
165 mol 95 unq 1 iso 3 dist 8.57395 9.85409 9.43547 8.27883 11.734 17.4304 numMergedOcc 0
166 mol 95 unq 1 iso 4 dist 9.85409 8.27883 17.4304 8.57395 9.43547 11.734 numMergedOcc 0
167 mol 95 unq 1 iso 5 dist 9.85409 8.57395 9.43547 8.27883 17.4304 11.734 numMergedOcc 0
168 mol 95 unq 1 iso 0 dist 5.75428 8.57395 6.95874 9.85409 12.3063 9.43547 numMergedOcc 0
169 mol 95 unq 1 iso 1 dist 5.75428 9.85409 12.3063 8.57395 6.95874 9.43547 numMergedOcc 0
170 mol 95 unq 1 iso 2 dist 8.57395 5.75428 6.95874 9.85409 9.43547 12.3063 numMergedOcc 0
171 mol 95 unq 1 iso 3 dist 8.57395 9.85409 9.43547 5.75428 6.95874 12.3063 numMergedOcc 0
172 mol 95 unq 1 iso 4 dist 9.85409 5.75428 12.3063 8.57395 9.43547 6.95874 numMergedOcc 0
173 mol 95 unq 1 iso 5 dist 9.85409 8.57395 9.43547 5.75428 12.3063 6.95874 numMergedOcc 0
174 mol 129 unq 0 iso 0 dist 6.69691 5.51197 5.94312 8.86944 5.35495 9.74141 numMergedOcc 0
175 mol 129 unq 0 iso 1 dist 6.69691 8.86944 5.35495 5.51197 5.94312 9.74141 numMergedOcc 0
176 mol 129 unq 0 iso 2 dist 5.51197 6.69691 5.94312 8.86944 9.74141 5.35495 numMergedOcc 0
177 mol 129 unq 0 iso 3 dist 5.51197 8.86944 9.74141 6.69691 5.94312 5.35495 numMergedOcc 0
178 mol 129 unq 0 iso 4 dist 8.86944 6.69691 5.35495 5.51197 9.74141 5.94312 numMergedOcc 0
179 mol 129 unq 0 iso 5 dist 8.86944 5.51197 9.74141 6.69691 5.35495 5.94312 numMergedOcc 0
180 mol 167 unq 0 iso 0 dist 7.20495 9.2289 9.25262 7.02548 6.81449 3.55199 numMergedOcc 0
181 mol 167 unq 0 iso 1 dist 7.20495 7.02548 6.81449 9.2289 9.25262 3.55199 numMergedOcc 0
182 mol 167 unq 0 iso 2 dist 9.2289 7.20495 9.25262 7.02548 3.55199 6.81449 numMergedOcc 0
183 mol 167 unq 0 iso 3 dist 9.2289 7.02548 3.55199 7.20495 9.25262 6.81449 numMergedOcc 0
184 mol 167 unq 0 iso 4 dist 7.02548 7.20495 6.81449 9.2289 3.55199 9.25262 numMergedOcc 0
185 mol 167 unq 0 iso 5 dist 7.02548 9.2289 3.55199 7.20495 6.81449 9.25262 numMergedOcc 0
186 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 9.55105 10.1041 3.55187 numMergedOcc 0
187 mol 181 unq 0 iso 1 dist 6.64173 9.55105 10.1041 9.01624 11.196 3.55187 numMergedOcc 0
188 mol 181 unq 0 iso 2 dist 9.01624 6.64173 11.196 9.55105 3.55187 10.1041 numMergedOcc 0
189 mol 181 unq 0 iso 3 dist 9.01624 9.55105 3.55187 6.64173 11.196 10.1041 numMergedOcc 0
190 mol 181 unq 0 iso 4 dist 9.55105 6.64173 10.1041 9.01624 3.55187 11.196 numMergedOcc 0
191 mol 181 unq 0 iso 5 dist 9.55105 9.01624 3.55187 6.64173 10.1041 11.196 numMergedOcc 0
192 mol 186 unq 0 iso 0 dist 7.2793 9.51091 3.47886 7.85184 12.5618 14.2448 numMergedOcc 0
193 mol 186 unq 0 iso 1 dist 7.2793 7.85184 12.5618 9.51091 3.47886 14.2448 numMergedOcc 0
194 mol 186 unq 0 iso 2 dist 9.51091 7.2793 3.47886 7.85184 14.2448 12.5618 numMergedOcc 0
195 mol 186 unq 0 iso 3 dist 9.51091 7.85184 14.2448 7.2793 3.47886 12.5618 numMergedOcc 0
196 mol 186 unq 0 iso 4 dist 7.85184 7.2793 12.5618 9.51091 14.2448 3.47886 numMergedOcc 0
197 mol 186 unq 0 iso 5 dist 7.85184 9.51091 14.2448 7.2793 12.5618 3.47886 numMergedOcc 0
198 mol 192 unq 0 iso 0 dist 9.78634 5.64942 5.9655 7.43054 7.70298 3.60331 numMergedOcc 0
199 mol 192 unq 0 iso 1 dist 9.78634 7.43054 7.70298 5.64942 5.9655 3.60331 numMergedOcc 0
200 mol 192 unq 0 iso 2 dist 5.64942 9.78634 5.9655 7.43054 3.60331 7.70298 numMergedOcc 0
201 mol 192 unq 0 iso 3 dist 5.64942 7.43054 3.60331 9.78634 5.9655 7.70298 numMergedOcc 0
202 mol 192 unq 0 iso 4 dist 7.43054 9.78634 7.70298 5.64942 3.60331 5.9655 numMergedOcc 0
203 mol 192 unq 0 iso 5 dist 7.43054 5.64942 3.60331 9.78634 7.70298 5.9655 numMergedOcc 0
204 mol 207 unq 0 iso 0 dist 5.12567 6.0563 6.07936 8.1244 10.1734 4.66347 numMergedOcc 0
205 mol 207 unq 0 iso 1 dist 5.12567 8.1244 10.1734 6.0563 6.07936 4.66347 numMergedOcc 0
206 mol 207 unq 0 iso 2 dist 6.0563 5.12567 6.07936 8.1244 4.66347 10.1734 numMergedOcc 0
207 mol 207 unq 0 iso 3 dist 6.0563 8.1244 4.66347 5.12567 6.07936 10.1734 numMergedOcc 0
208 mol 207 unq 0 iso 4 dist 8.1244 5.12567 10.1734 6.0563 4.66347 6.07936 numMergedOcc 0
209 mol 207 unq 0 iso 5 dist 8.1244 6.0563 4.66347 5.12567 10.1734 6.07936 numMergedOcc 0
210 mol 222 unq 0 iso 0 dist 6.74196 8.36842 8.10209 9.75472 9.49218 3.53707 numMergedOcc 0
211 mol 222 unq 0 iso 1 dist 6.74196 9.75472 9.49218 8.36842 8.10209 3.53707 numMergedOcc 0
212 mol 222 unq 0 iso 2 dist 8.36842 6.74196 8.10209 9.75472 3.53707 9.49218 numMergedOcc 0
213 mol 222 unq 0 iso 3 dist 8.36842 9.75472 3.53707 6.74196 8.10209 9.49218 numMergedOcc 0
214 mol 222 unq 0 iso 4 dist 9.75472 6.74196 9.49218 8.36842 3.53707 8.10209 numMergedOcc 0
215 mol 222 unq 0 iso 5 dist 9.75472 8.36842 3.53707 6.74196 9.49218 8.10209 numMergedOcc 0
216 mol 225 unq 0 iso 0 dist 6.50998 9.09424 8.05944 8.14831 13.7858 11.2712 numMergedOcc 0
217 mol 225 unq 0 iso 1 dist 6.50998 8.14831 13.7858 9.09424 8.05944 11.2712 numMergedOcc 0
218 mol 225 unq 0 iso 2 dist 9.09424 6.50998 8.05944 8.14831 11.2712 13.7858 numMergedOcc 0
219 mol 225 unq 0 iso 3 dist 9.09424 8.14831 11.2712 6.50998 8.05944 13.7858 numMergedOcc 0
220 mol 225 unq 0 iso 4 dist 8.14831 6.50998 13.7858 9.09424 11.2712 8.05944 numMergedOcc 0
221 mol 225 unq 0 iso 5 dist 8.14831 9.09424 11.2712 6.50998 13.7858 8.05944 numMergedOcc 0
222 mol 277 unq 0 iso 0 dist 9.35539 8.9682 16.9644 6.92711 15.8851 3.39114 numMergedOcc 0
223 mol 277 unq 0 iso 1 dist 9.35539 6.92711 15.8851 8.9682 16.9644 3.39114 numMergedOcc 0
224 mol 277 unq 0 iso 2 dist 8.9682 9.35539 16.9644 6.92711 3.39114 15.8851 numMergedOcc 0
225 mol 277 unq 0 iso 3 dist 8.9682 6.92711 3.39114 9.35539 16.9644 15.8851 numMergedOcc 0
226 mol 277 unq 0 iso 4 dist 6.92711 9.35539 15.8851 8.9682 3.39114 16.9644 numMergedOcc 0
227 mol 277 unq 0 iso 5 dist 6.92711 8.9682 3.39114 9.35539 15.8851 16.9644 numMergedOcc 0
228 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 9.5785 11.3907 10.0941 numMergedOcc 0
229 mol 292 unq 0 iso 1 dist 9.46442 9.5785 11.3907 7.30758 3.57128 10.0941 numMergedOcc 0
230 mol 292 unq 0 iso 2 dist 7.30758 9.46442 3.57128 9.5785 10.0941 11.3907 numMergedOcc 0
231 mol 292 unq 0 iso 3 dist 7.30758 9.5785 10.0941 9.46442 3.57128 11.3907 numMergedOcc 0
232 mol 292 unq 0 iso 4 dist 9.5785 9.46442 11.3907 7.30758 10.0941 3.57128 numMergedOcc 0
233 mol 292 unq 0 iso 5 dist 9.5785 7.30758 10.0941 9.46442 11.3907 3.57128 numMergedOcc 0
234 mol 292 unq 1 iso 0 dist 9.46442 7.30758 3.57128 9.76319 13.609 13.2166 numMergedOcc 0
235 mol 292 unq 1 iso 1 dist 9.46442 9.76319 13.609 7.30758 3.57128 13.2166 numMergedOcc 0
236 mol 292 unq 1 iso 2 dist 7.30758 9.46442 3.57128 9.76319 13.2166 13.609 numMergedOcc 0
237 mol 292 unq 1 iso 3 dist 7.30758 9.76319 13.2166 9.46442 3.57128 13.609 numMergedOcc 0
238 mol 292 unq 1 iso 4 dist 9.76319 9.46442 13.609 7.30758 13.2166 3.57128 numMergedOcc 0
239 mol 292 unq 1 iso 5 dist 9.76319 7.30758 13.2166 9.46442 13.609 3.57128 numMergedOcc 0
240 mol 292 unq 1 iso 0 dist 9.46442 9.5785 11.3907 9.76319 13.609 7.00706 numMergedOcc 0
241 mol 292 unq 1 iso 1 dist 9.46442 9.76319 13.609 9.5785 11.3907 7.00706 numMergedOcc 0
242 mol 292 unq 1 iso 2 dist 9.5785 9.46442 11.3907 9.76319 7.00706 13.609 numMergedOcc 0
243 mol 292 unq 1 iso 3 dist 9.5785 9.76319 7.00706 9.46442 11.3907 13.609 numMergedOcc 0
244 mol 292 unq 1 iso 4 dist 9.76319 9.46442 13.609 9.5785 7.00706 11.3907 numMergedOcc 0
245 mol 292 unq 1 iso 5 dist 9.76319 9.5785 7.00706 9.46442 13.609 11.3907 numMergedOcc 0
246 mol 292 unq 1 iso 0 dist 7.30758 9.5785 10.0941 9.76319 13.2166 7.00706 numMergedOcc 0
247 mol 292 unq 1 iso 1 dist 7.30758 9.76319 13.2166 9.5785 10.0941 7.00706 numMergedOcc 0
248 mol 292 unq 1 iso 2 dist 9.5785 7.30758 10.0941 9.76319 7.00706 13.2166 numMergedOcc 0
249 mol 292 unq 1 iso 3 dist 9.5785 9.76319 7.00706 7.30758 10.0941 13.2166 numMergedOcc 0
250 mol 292 unq 1 iso 4 dist 9.76319 7.30758 13.2166 9.5785 7.00706 10.0941 numMergedOcc 0
251 mol 292 unq 1 iso 5 dist 9.76319 9.5785 7.00706 7.30758 13.2166 10.0941 numMergedOcc 0
